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2-sulfinyl-8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid

2-sulfinyl-8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid

Systemtic Name:2-sulfinyl-8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid
Openeye Name:2-sulfinyl-8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid
CAS Name:2-sulfinyl-8-(3,4,5-triphenyl-1-pyrazolyl)octanoic acid
IUPAC Name:2-sulfinyl-8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid
Traditional Name:2-sulfinyl-8-(3,4,5-triphenylpyrazol-1-yl)caprylic acid
Formula: C29H28N2O3S
MolecularWeight: 484.60922
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCC(=S=O)C(=O)O)C4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCCC(=S=O)C(=O)O)C4=CC=CC=C4


InChI

InChI=1S/C29H28N2O3S/c32-29(33)25(35-34)20-12-1-2-13-21-31-28(24-18-10-5-11-19-24)26(22-14-6-3-7-15-22)27(30-31)23-16-8-4-9-17-23/h3-11,14-19H,1-2,12-13,20-21H2,(H,32,33)


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